CID 120322

681-72-1

Structural Information

Molecular Formula
C5H4Cl9O3P
SMILES
C(C(Cl)(Cl)Cl)OP(=O)(C(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl
InChI
InChI=1S/C5H4Cl9O3P/c6-3(7,8)1-16-18(15,5(12,13)14)17-2-4(9,10)11/h1-2H2
InChIKey
OLQIXLNFSLDJDA-UHFFFAOYSA-N
Compound name
1,1,1-trichloro-2-[2,2,2-trichloroethoxy(trichloromethyl)phosphoryl]oxyethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.70947 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.71675 209.4
[M+Na]+ 480.69869 211.0
[M-H]- 456.70219 198.7
[M+NH4]+ 475.74329 214.1
[M+K]+ 496.67263 211.3
[M+H-H2O]+ 440.70673 205.5
[M+HCOO]- 502.70767 189.0
[M+CH3COO]- 516.72332 226.3
[M+Na-2H]- 478.68414 201.7
[M]+ 457.70892 197.7
[M]- 457.71002 197.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.